2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide

C25H31ClN2O2 — CID 132610464

IUPAC2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C25H31ClN2O2/c1-3-23(25(30)27-22-13-6-7-14-22)28(17-20-11-5-4-9-18(20)2)24(29)16-19-10-8-12-21(26)15-19/h4-5,8-12,15,22-23H,3,6-7,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyNBKVGIUKCXNQOM-UHFFFAOYSA-N
MW426.99 g/mol
LogP5.06
Rot. Bonds8

About 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide

2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide (PubChem CID 132610464) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
PubChem CID132610464
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C25H31ClN2O2/c1-3-23(25(30)27-22-13-6-7-14-22)28(17-20-11-5-4-9-18(20)2)24(29)16-19-10-8-12-21(26)15-19/h4-5,8-12,15,22-23H,3,6-7,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyNBKVGIUKCXNQOM-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132611837
2-[[2-(3-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614246
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 100535535
N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132708105
2-[(3-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248169
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132612519
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132624245
N-cyclopentyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132986134
(2S)-2-[(3-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100600499
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentylbutanamide
CID 132610488
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132763943
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide (CID 132610464) is 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
The InChIKey is NBKVGIUKCXNQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O2/c1-3-23(25(30)27-22-13-6-7-14-22)28(17-20-11-5-4-9-18(20)2)24(29)16-19-10-8-12-21(26)15-19/h4-5,8-12,15,22-23H,3,6-7,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide has a molecular weight of 426.99 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 132610464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).